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2-(1,5-DIMETHYL-4-HEXENYL)-3-METHOXY-5-METHYL-6-[(4'-NITROPHENYL)-AMINE]-1,4-BENZOQUINONE
SpectraBase Compound ID 5to0OqGZOKy
InChI InChI=1S/C22H26N2O5/c1-13(2)7-6-8-14(3)18-21(26)19(15(4)20(25)22(18)29-5)23-16-9-11-17(12-10-16)24(27)28/h7,9-12,14,23H,6,8H2,1-5H3
InChIKey AZTORXYLFWPCBP-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C22H26N2O5
Exact Mass 398.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwzR4dYcrfY
Name 2-(1,5-DIMETHYL-4-HEXENYL)-3-METHOXY-5-METHYL-6-[(4'-NITROPHENYL)-AMINE]-1,4-BENZOQUINONE
Compound Number P-NO2A PZM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O5
InChI InChI=1S/C22H26N2O5/c1-13(2)7-6-8-14(3)18-21(26)19(15(4)20(25)22(18)29-5)23-16-9-11-17(12-10-16)24(27)28/h7,9-12,14,23H,6,8H2,1-5H3
InChIKey AZTORXYLFWPCBP-UHFFFAOYSA-N
Literature Reference Author M.AGUILAR-MARTINEZ,J.A.BAUTISTA-MARTINEZ,N.MACIAS-RUVALCABA, I.GONZALES,E.TOVAR,
Literature Reference Citation J.ORG.CHEM.,66,8349(2001)
Literature Reference DOI 10.1021/jo010302z
Molecular Weight 398.459 g/mol
Solvent CDCl3
Source File Reference UWLU29109